4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride

C17H33ClN2O2 — CID 120563393

IUPAC4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride
SMILESCCOC1CC(N(C)C(=O)CCC(C)N)C12CCCCC2.Cl
InChIInChI=1S/C17H32N2O2.ClH/c1-4-21-15-12-14(17(15)10-6-5-7-11-17)19(3)16(20)9-8-13(2)18;/h13-15H,4-12,18H2,1-3H3;1H
InChIKeyPHRUCXJHSIUGSS-UHFFFAOYSA-N
MW332.92 g/mol
LogP3.12
Rot. Bonds6

About 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride

4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride (PubChem CID 120563393) has the molecular formula C17H33ClN2O2 and a molecular weight of 332.92 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride
PubChem CID120563393
Molecular FormulaC17H33ClN2O2
Molecular Weight332.92 g/mol
Exact Mass332.22
IUPAC Name4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride
SMILESCCOC1CC(N(C)C(=O)CCC(C)N)C12CCCCC2.Cl
InChIInChI=1S/C17H32N2O2.ClH/c1-4-21-15-12-14(17(15)10-6-5-7-11-17)19(3)16(20)9-8-13(2)18;/h13-15H,4-12,18H2,1-3H3;1H
InChIKeyPHRUCXJHSIUGSS-UHFFFAOYSA-N
XLogP3.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.92
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylpropanamide;hydrochloride
CID 119333090
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
CID 119335024
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
CID 119803589
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 95635324
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N-methyl-2-(methylamino)acetamide
CID 120705060
2-(cyclopropylmethylamino)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylacetamide
CID 119800300
(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
CID 99774644
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186359
3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119799255
2-(1,3-dioxan-2-yl)-N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methylacetamide
CID 124740198
2-(1,3-dioxan-2-yl)-N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methylacetamide
CID 124740197

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride (CID 120563393) is 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride is CCOC1CC(N(C)C(=O)CCC(C)N)C12CCCCC2.Cl.
What is the InChIKey of 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride?
The InChIKey is PHRUCXJHSIUGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2.ClH/c1-4-21-15-12-14(17(15)10-6-5-7-11-17)19(3)16(20)9-8-13(2)18;/h13-15H,4-12,18H2,1-3H3;1H.
What are the key properties of 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride?
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride has a molecular weight of 332.92 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 120563393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).